SCHEMBL20710040

SCHEMBL20710040

CSn1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 5/20 0.60
GAA P10253 5/20 0.60
KDM4E B2RXH2 4/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PKM P14618 1/20 0.43
DGAT1 O75907 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GFER P55789 2/20 0.37
DRD4 P21917 1/20 0.36
ME2 P23368 2/20 0.36
ME1 P48163 2/20 0.36
ME3 Q16798 2/20 0.36
TYR P14679 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11070043 0.82 MAPT (0.62) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL9665897 0.79 MAPT (0.65) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL9665148 0.79 MAPT (0.77) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL23355364 0.77 MAPT (0.73) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL9665027 0.77 MAPT (0.62) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL23355908 0.77 MAPT (0.73) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL8196645 0.76 MAPT (0.72) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL14765200 0.76 MAPT (0.80) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL14764336 0.76 MAPT (0.65) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL6748764 0.76 MAPT (0.72) MAPTALDH1A1LMNAGAAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885LMNA 4868/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885LMNA 4868/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.